Geometry & MOs

Info

ID:	356192
PubChem CID:	127291228
Reduced:	SO2N4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	375.128649
ΔH_f, kcal/mol:	-71.79
Dipole, Da:	1.37
IP(EA), eV:	-8.97(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-thiazolidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)N1CSCC1C(=O)N2CCN(CC2)CC3=CN=CC=C3

DOS

IR

Vibrations